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Concept information

Preferred term

fimsbactin d  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H28N4O10

inchi

  • InChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1

inchikey

  • AIGALQWZVLEUFI-IRXDYDNUSA-N

mass

  • 544.517

monoisotopicmass

  • 544.18054

smiles

  • O=C(OC[C@H](NC(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)OC1)C(=O)NCCCNC(=O)C)C3=C(O)C(O)=CC=C3

subset

  • 2_STAR

synonym EXACT

  • [(2S)-3-(3-acetamidopropylamino)-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224432

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